2,6-diethylnaphthalene-1,8-dicarboxylic acid

C16H16O4 — CID 70141168

IUPAC2,6-diethylnaphthalene-1,8-dicarboxylic acid
SMILESCCc1cc(C(=O)O)c2c(C(=O)O)c(CC)ccc2c1
InChIInChI=1S/C16H16O4/c1-3-9-7-11-6-5-10(4-2)14(16(19)20)13(11)12(8-9)15(17)18/h5-8H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJVFORSQKBNQGAN-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.36
Rot. Bonds4

About 2,6-diethylnaphthalene-1,8-dicarboxylic acid

2,6-diethylnaphthalene-1,8-dicarboxylic acid (PubChem CID 70141168) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2,6-diethylnaphthalene-1,8-dicarboxylic acid.

Molecular Properties

Compound Name2,6-diethylnaphthalene-1,8-dicarboxylic acid
PubChem CID70141168
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name2,6-diethylnaphthalene-1,8-dicarboxylic acid
SMILESCCc1cc(C(=O)O)c2c(C(=O)O)c(CC)ccc2c1
InChIInChI=1S/C16H16O4/c1-3-9-7-11-6-5-10(4-2)14(16(19)20)13(11)12(8-9)15(17)18/h5-8H,3-4H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyJVFORSQKBNQGAN-UHFFFAOYSA-N
XLogP3.36
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,6-diethylnaphthalene-1,8-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dipropylnaphthalene-1,8-dicarboxylic acid
CID 69224106
3,5-diethylphthalic acid;2,4,6-trimethylpyridine
CID 174757082
5-ethyl-1-propylindole-7-carboxylic acid
CID 83946152
2,5-dipropylbenzoic acid
CID 139904729
2-(2-aminoethyl)-5-ethylbenzoic acid
CID 83853045
5-ethyl-2-methyl-1H-indole-7-carboxylic acid
CID 83964802
1,7-diethylperylene-3,4,9,10-tetracarboxylic acid
CID 54491259
2-carboxy-3,6-diethylphenolate
CID 54694709
pyrene-1,2,6,7-tetracarboxylic acid
CID 19093279
4-ethyl-2-(2-methylpropyl)benzene-1,3-dicarboxylic acid
CID 154102883
3-bromo-5-ethyl-2-methoxybenzoic acid
CID 50882139
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708

Frequently Asked Questions

What is the IUPAC name of 2,6-diethylnaphthalene-1,8-dicarboxylic acid?
The IUPAC name of 2,6-diethylnaphthalene-1,8-dicarboxylic acid (CID 70141168) is 2,6-diethylnaphthalene-1,8-dicarboxylic acid.
What is the SMILES notation for 2,6-diethylnaphthalene-1,8-dicarboxylic acid?
The canonical SMILES for 2,6-diethylnaphthalene-1,8-dicarboxylic acid is CCc1cc(C(=O)O)c2c(C(=O)O)c(CC)ccc2c1.
What is the InChIKey of 2,6-diethylnaphthalene-1,8-dicarboxylic acid?
The InChIKey is JVFORSQKBNQGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-3-9-7-11-6-5-10(4-2)14(16(19)20)13(11)12(8-9)15(17)18/h5-8H,3-4H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2,6-diethylnaphthalene-1,8-dicarboxylic acid?
2,6-diethylnaphthalene-1,8-dicarboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylnaphthalene-1,8-dicarboxylic acid is sourced from PubChem (CID 70141168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).